1-methyl-1H-1,2,3-benzotriazol-6-amine
TL;DR: 1-methyl-1H-1,2,3-benzotriazol-6-amine (CAS 26861-23-4) is a chemical compound with molecular formula C7H8N4 and molecular weight 148.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzotriazol-5-amine
Also Known As: 6-Amino-1-methyl-1H-benzotriazole, 3-methylbenzotriazol-5-amine, 1-Methyl-1H-1,2,3-benzotriazol-6-amine, 1-methyl-1H-benzo[d][1,2,3]triazol-6-amine, 5-amino-3-methylbenzotriazole
| Molecular Formula | C7H8N4 |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.07489 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 26861-23-4 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)N)N=N1 |
| InChIKey | ILZYOUAFELGUSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-1H-1,2,3-benzotriazol-6-amine (CAS 26861-23-4), with molecular formula C7H8N4 and molecular weight 148.07 g/mol. IUPAC: 3-methylbenzotriazol-5-amine.
Chemical Property Profile of 1-methyl-1H-1,2,3-benzotriazol-6-amine
Property Insights of 1-methyl-1H-1,2,3-benzotriazol-6-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-1H-1,2,3-benzotriazol-6-amine. With a topological polar surface area (TPSA) of 56.7 Ų, 1-methyl-1H-1,2,3-benzotriazol-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1H-1,2,3-benzotriazol-6-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-1H-1,2,3-benzotriazol-6-amine?
The CAS number of 1-methyl-1H-1,2,3-benzotriazol-6-amine is 26861-23-4.
What is the molecular formula of 1-methyl-1H-1,2,3-benzotriazol-6-amine?
The molecular formula of 1-methyl-1H-1,2,3-benzotriazol-6-amine is C7H8N4.
What is the molecular weight of 1-methyl-1H-1,2,3-benzotriazol-6-amine?
The molecular weight of 1-methyl-1H-1,2,3-benzotriazol-6-amine is 148.07 g/mol.
Where can I buy 1-methyl-1H-1,2,3-benzotriazol-6-amine?
You can request a quote for 1-methyl-1H-1,2,3-benzotriazol-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-1,2,3-benzotriazol-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-1,2,3-benzotriazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.